3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C17H17N3O2 — CID 137481009

IUPAC3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(C)cc(C(=O)O)nc12
InChIInChI=1S/C17H17N3O2/c1-9-6-5-7-10(2)14(9)15-12(4)19-20-11(3)8-13(17(21)22)18-16(15)20/h5-8H,1-4H3,(H,21,22)
InChIKeyMBBDEDNQPGCSJX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.33
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481009) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481009
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(C)cc(C(=O)O)nc12
InChIInChI=1S/C17H17N3O2/c1-9-6-5-7-10(2)14(9)15-12(4)19-20-11(3)8-13(17(21)22)18-16(15)20/h5-8H,1-4H3,(H,21,22)
InChIKeyMBBDEDNQPGCSJX-UHFFFAOYSA-N
XLogP3.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481009) is 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(C)cc(C(=O)O)nc12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MBBDEDNQPGCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-9-6-5-7-10(2)14(9)15-12(4)19-20-11(3)8-13(17(21)22)18-16(15)20/h5-8H,1-4H3,(H,21,22).
What are the key properties of 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).